311249 <common-name>8-[(e)-2-(6-bromo-1,3-benzodioxol-5-yl)ethenyl]-1,3-diethyl-7h-purine-2,6-dione</common-name> <description>8-[(e)-2-(6-bromo-1,3-benzodioxol-5-yl)ethenyl]-1,3-diethyl-7h-purine-2,6-dione is a chemical compound with the formula C18H17BrN4O4. It has an average molecular weight of 433.30 g/mol.</description> <cas>155271-88-8</cas> <pubchem-id>6448934</pubchem-id> <chemical-formula>C18H17BrN4O4</chemical-formula> <weight>433.3</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-08-29T07:23:20Z</created-at> <updated-at type="dateTime">2026-08-29T07:23:20Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CCN1C2=C(C(=O)N(C1=O)CC)NC(=N2)C=CC3=CC4=C(C=C3Br)OCO4</moldb-smiles> <moldb-formula>C18H17BrN4O4</moldb-formula> <moldb-inchi>InChI=1S/C18H17BrN4O4/c1-3-22-16-15(17(24)23(4-2)18(22)25)20-14(21-16)6-5-10-7-12-13(8-11(10)19)27-9-26-12/h5-8H,3-4,9H2,1-2H3,(H,20,21)/b6-5+</moldb-inchi> <moldb-inchikey>LLDOHYPCUDSGFI-AATRIKPKSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">432.04332</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.1</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM307142</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>8-[(e)-2-(6-bromo-1,3-benzodioxol-5-yl)ethenyl]-1,3-diethyl-7h-purine-2,6-dione</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Imidazopyrimidines</klass> <subklass>Purines and purine derivatives</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0262208</sync-id> <structure-inchikey>LLDOHYPCUDSGFI-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2000000000008000000000000000000000000000000000000000000000000000020000200000000000800060000000000000004000000000000000c0000000000000000100000000000000000020800000002200000000802000000018000000200000005000200000100000000000020100008040000000000000000000000040000000040000200800000000000040000000000000000000000800100000000000000004000800080000000000000000000000000040000000002000000000000000000000000100000000000080008001000000004000000000000080000000000001010040000000400000000000000000000000000000000000</structure-fingerprint> 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